| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
TBK1 (IC50 = 22.4 nM)
TBK1-IN-1 targets TANK-binding kinase 1 (TBK1), a serine/threonine kinase that is a key regulator of innate immune responses. TBK1 is activated by pattern recognition receptors and phosphorylates interferon regulatory factors (IRFs), leading to the production of type I interferons and other inflammatory cytokines. It is also involved in autophagy and oncogenic signaling. By inhibiting TBK1, TBK1-IN-1 blocks the expression of its downstream target genes, cxcl10 and ifnβ. |
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| ln Vitro |
TBK1-IN-1 (compound 7l; 0.1 and 1 μM; 2 h) inhibits the expression of the TBK1 downstream target genes cxcl10 and ifnβ expression in THP1 and RAW264.7 cells induced by poly (I:C) and lipopolysaccharide, respectively[1].With IC50 values of 17.6 μM for A549 and 9.4 μM for LLC, respectively, TBK1-IN-1 (1-100 μM; 72 h) has moderate antiproliferative activities[1].
In vitro, TBK1-IN-1 is a potent and selective TBK1 inhibitor with an IC50 of 22.4 nM. It inhibits the expression of TBK1 downstream target genes, cxcl10 and ifnβ, confirming its mechanism of action. It has demonstrated anticancer activity in cell-based assays. |
| ln Vivo |
In vivo, TBK1-IN-1 is used to study TBK1's role in antiviral responses, cancer, and neuroinflammatory disorders such as ALS. It is a valuable tool for developing targeted therapies that modulate aberrant immune and inflammatory signaling pathways.
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| Enzyme Assay |
The inhibitory activity of TBK1-IN-1 is assessed using in vitro kinase assays. Recombinant TBK1 is incubated with a substrate and varying concentrations of the compound. The IC50 is calculated from the dose-response curve. Its selectivity is confirmed by testing it against a panel of other kinases.
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| Cell Assay |
The cellular activity of TBK1-IN-1 is evaluated in various cell lines. Cells are treated with TBK1-IN-1, and its effect on TBK1 phosphorylation and the expression of its downstream target genes, cxcl10 and ifnβ, is measured by qRT-PCR or Western blot. Its effect on cell viability and signaling pathways is also investigated.
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| Animal Protocol |
In animal studies, TBK1-IN-1 is typically administered to rodents via oral gavage or intraperitoneal injection. In models of cancer or inflammation, its effect on disease progression and immune responses is assessed.
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| ADME/Pharmacokinetics |
As a small molecule, TBK1-IN-1 has properties suitable for in vivo studies. Its pharmacokinetic properties, such as oral bioavailability and half-life, would need to be determined for specific applications.
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| Toxicity/Toxicokinetics |
Toxicology data for TBK1-IN-1 is limited. As a research compound, its safety profile has not been established in formal toxicology studies. Its use is limited to research applications.
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| References | |
| Additional Infomation |
TBK1-IN-1 is a potent and selective TBK1 inhibitor that is a valuable tool for studying the role of TBK1 in innate immunity, inflammation, and cancer. Its ability to inhibit downstream target genes makes it a key compound for understanding TBK1-mediated signaling and for developing therapies for diseases involving aberrant TBK1 activity.
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| Molecular Formula |
C27H35N7O2
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|---|---|
| Exact Mass |
489.28522338
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| Appearance |
White to off-white solid
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| SMILES |
CC(N1CCN(CC1)CC2=CC=CC(NC3=NC=C4C=CN(C4=N3)CCCNC(C5CCC5)=O)=C2)=O
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| InChi Key |
QVADRMQCYNOPPE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H35N7O2/c1-20(35)33-15-13-32(14-16-33)19-21-5-2-8-24(17-21)30-27-29-18-23-9-12-34(25(23)31-27)11-4-10-28-26(36)22-6-3-7-22/h2,5,8-9,12,17-18,22H,3-4,6-7,10-11,13-16,19H2,1H3,(H,28,36)(H,29,30,31)
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| Chemical Name |
N-[3-[2-[3-[(4-acetylpiperazin-1-yl)methyl]anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide
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| Synonyms |
TBK1-IN-1
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~204.2 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.11 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (5.11 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: 2.5 mg/mL (5.11 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
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